N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine

C189H121N3OS5 — CID 159643698

IUPACN,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cccc32)cc1
InChIInChI=1S/C67H43NOS.2C61H39NS2/c1-3-19-48(20-4-1)67(49-21-5-2-6-22-49)59-30-10-7-25-58(59)64-60(67)31-16-32-61(64)68(51-41-37-45(38-42-51)52-26-14-28-56-54-23-8-11-33-62(54)69-65(52)56)50-39-35-44(36-40-50)46-17-13-18-47(43-46)53-27-15-29-57-55-24-9-12-34-63(55)70-66(53)57;1-3-16-42(17-4-1)61(43-18-5-2-6-19-43)51-25-10-7-20-48(51)60-52(61)26-15-27-53(60)62(44-36-32-40(33-37-44)46-23-13-30-56-58(46)49-21-8-11-28-54(49)63-56)45-38-34-41(35-39-45)47-24-14-31-57-59(47)50-22-9-12-29-55(50)64-57;1-3-15-43(16-4-1)61(44-17-5-2-6-18-44)52-23-10-7-20-49(52)60-53(61)24-14-25-54(60)62(45-34-29-40(30-35-45)42-33-38-57-51(39-42)48-19-8-11-26-55(48)63-57)46-36-31-41(32-37-46)47-22-13-28-58-59(47)50-21-9-12-27-56(50)64-58/h1-43H;2*1-39H
InChIKeyMQRLGSDVFHYGKY-UHFFFAOYSA-N
MW2610.40 g/mol
LogP53.97
Rot. Bonds22

About N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine

N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine (PubChem CID 159643698) has the molecular formula C189H121N3OS5 and a molecular weight of 2610.40 g/mol. Its IUPAC name is N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine.

Molecular Properties

Compound NameN,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
PubChem CID159643698
Molecular FormulaC189H121N3OS5
Molecular Weight2610.40 g/mol
Exact Mass2607.81
IUPAC NameN,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cccc32)cc1
InChIInChI=1S/C67H43NOS.2C61H39NS2/c1-3-19-48(20-4-1)67(49-21-5-2-6-22-49)59-30-10-7-25-58(59)64-60(67)31-16-32-61(64)68(51-41-37-45(38-42-51)52-26-14-28-56-54-23-8-11-33-62(54)69-65(52)56)50-39-35-44(36-40-50)46-17-13-18-47(43-46)53-27-15-29-57-55-24-9-12-34-63(55)70-66(53)57;1-3-16-42(17-4-1)61(43-18-5-2-6-19-43)51-25-10-7-20-48(51)60-52(61)26-15-27-53(60)62(44-36-32-40(33-37-44)46-23-13-30-56-58(46)49-21-8-11-28-54(49)63-56)45-38-34-41(35-39-45)47-24-14-31-57-59(47)50-22-9-12-29-55(50)64-57;1-3-15-43(16-4-1)61(44-17-5-2-6-18-44)52-23-10-7-20-49(52)60-53(61)24-14-25-54(60)62(45-34-29-40(30-35-45)42-33-38-57-51(39-42)48-19-8-11-26-55(48)63-57)46-36-31-41(32-37-46)47-22-13-28-58-59(47)50-21-9-12-27-56(50)64-58/h1-43H;2*1-39H
InChIKeyMQRLGSDVFHYGKY-UHFFFAOYSA-N
XLogP53.97
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms198
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002610.40
LogP ≤ 553.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424214
N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 160996301
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424208
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424479
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 158068867
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424485
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424505
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424253
N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 158243497
4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381304
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424569
N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 161432391

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine?
The IUPAC name of N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine (CID 159643698) is N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine.
What is the SMILES notation for N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine?
The canonical SMILES for N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4ccc(-c5cccc6sc7ccccc7c56)cc4)cccc32)cc1.
What is the InChIKey of N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine?
The InChIKey is MQRLGSDVFHYGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NOS.2C61H39NS2/c1-3-19-48(20-4-1)67(49-21-5-2-6-22-49)59-30-10-7-25-58(59)64-60(67)31-16-32-61(64)68(51-41-37-45(38-42-51)52-26-14-28-56-54-23-8-11-33-62(54)69-65(52)56)50-39-35-44(36-40-50)46-17-13-18-47(43-46)53-27-15-29-57-55-24-9-12-34-63(55)70-66(53)57;1-3-16-42(17-4-1)61(43-18-5-2-6-19-43)51-25-10-7-20-48(51)60-52(61)26-15-27-53(60)62(44-36-32-40(33-37-44)46-23-13-30-56-58(46)49-21-8-11-28-54(49)63-56)45-38-34-41(35-39-45)47-24-14-31-57-59(47)50-22-9-12-29-55(50)64-57;1-3-15-43(16-4-1)61(44-17-5-2-6-18-44)52-23-10-7-20-49(52)60-53(61)24-14-25-54(60)62(45-34-29-40(30-35-45)42-33-38-57-51(39-42)48-19-8-11-26-55(48)63-57)46-36-31-41(32-37-46)47-22-13-28-58-59(47)50-21-9-12-27-56(50)64-58/h1-43H;2*1-39H.
What are the key properties of N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine?
N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine has a molecular weight of 2610.40 g/mol, XLogP of 53.97, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-4-amine is sourced from PubChem (CID 159643698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).